C145H133F4N25O15S3 — CID 157106111
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide (PubChem CID 157106111) has the molecular formula C145H133F4N25O15S3 and a molecular weight of 2638.01 g/mol. Its IUPAC name is N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide.
| Compound Name | N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide |
|---|---|
| PubChem CID | 157106111 |
| Molecular Formula | C145H133F4N25O15S3 |
| Molecular Weight | 2638.01 g/mol |
| Exact Mass | 2635.95 |
| IUPAC Name | N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(difluoromethyl)benzamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-(difluoromethyl)benzamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]benzamide |
| SMILES | Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccccc2)cc1-c1cncc(C#N)c1.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1 |
| InChI | InChI=1S/C26H25N3O4S.C25H23F2N5O.C25H25N5O3S.C25H24N4O4S.C24H21F2N5O2.C20H15N3O/c1-17-6-7-22(29-26(30)19-4-3-5-23(13-19)34(2,31)32)14-24(17)21-12-20(15-27)25(28-16-21)18-8-10-33-11-9-18;1-16-5-6-21(31-25(33)18-4-2-3-17(11-18)23(26)27)13-22(16)20-12-19(14-28)24(30-15-20)32-9-7-29-8-10-32;1-17-6-7-21(29-25(31)18-4-3-5-22(13-18)34(2,32)33)14-23(17)20-12-19(15-26)24(28-16-20)30-10-8-27-9-11-30;1-17-6-7-21(28-25(30)18-4-3-5-22(13-18)34(2,31)32)14-23(17)20-12-19(15-26)24(27-16-20)29-8-10-33-11-9-29;1-15-21(19-10-18(12-27)23(29-13-19)31-5-7-33-8-6-31)11-20(14-28-15)30-24(32)17-4-2-3-16(9-17)22(25)26;1-14-7-8-18(23-20(24)16-5-3-2-4-6-16)10-19(14)17-9-15(11-21)12-22-13-17/h3-7,12-14,16,18H,8-11H2,1-2H3,(H,29,30);2-6,11-13,15,23,29H,7-10H2,1H3,(H,31,33);3-7,12-14,16,27H,8-11H2,1-2H3,(H,29,31);3-7,12-14,16H,8-11H2,1-2H3,(H,28,30);2-4,9-11,13-14,22H,5-8H2,1H3,(H,30,32);2-10,12-13H,1H3,(H,23,24) |
| InChIKey | AGHXIXQVRNZKKR-UHFFFAOYSA-N |
| XLogP | 23.95 |
| TPSA | 574.70 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2638.01 |
| LogP ≤ 5 | 23.95 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 34 |